⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14404003 | 0.80 | — | — | |
| SCHEMBL887399 | 0.78 | — | — | |
| SCHEMBL887276 | 0.78 | GPR84 (0.31) | — | |
| SCHEMBL17173613 | 0.78 | CES1 (0.36) | — | |
| SCHEMBL1692014 | 0.70 | BCL2L1 (0.36) | — | |
| SCHEMBL17088054 | 0.66 | CES1 (0.33) | — | |
| SCHEMBL10024811 | 0.64 | CES1 (0.37) | — | |
| SCHEMBL21615634 | 0.63 | ADRA1A (0.34) | — | |
| SCHEMBL14204843 | 0.63 | CES1 (0.40) | — | |
| SCHEMBL10024813 | 0.62 | CES1 (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1389199-B1 | Binaphthol derivatives as chiral dopants | MERCK PATENT GMBH (DE) | 2013-02-27 | — | — | EP | disclosed |
| US-20070229732-A1 | CHIRAL COMPOUNDS | TAUGERBECK ANDREAS | 2007-10-04 | — | — | US | disclosed |
| US-7223450-B2 | Chiral compounds | MERCK GMBH (DE) | 2007-05-29 | — | — | US | disclosed |